5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one

C13H14N4O2 — CID 11482308

IUPAC5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one
SMILESO=c1nc(N2CCOCC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C13H14N4O2/c18-13-14-12(17-6-8-19-9-7-17)11(15-16-13)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,16,18)
InChIKeyXWNWCYAYAKFQIT-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.67
Rot. Bonds2

About 5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one

5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one (PubChem CID 11482308) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one
PubChem CID11482308
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one
SMILESO=c1nc(N2CCOCC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C13H14N4O2/c18-13-14-12(17-6-8-19-9-7-17)11(15-16-13)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,16,18)
InChIKeyXWNWCYAYAKFQIT-UHFFFAOYSA-N
XLogP0.67
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one
CID 3770299
4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine
CID 12624037
3-morpholin-4-yl-5-phenyl-1H-pyridazin-6-one
CID 11680448
4-morpholin-4-yl-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one
CID 146671872
methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
CID 67042135
3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one
CID 155812528
3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one
CID 5158500
4-(3-methyl-6-phenylimidazo[1,2-a]pyrazin-8-yl)morpholine
CID 90084217
4-(5-nitro-6-phenyl-2-pyridinyl)morpholine
CID 133407232
4-[2-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)ethyl]morpholine
CID 154568126
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
(4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697768

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one (CID 11482308) is 5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one is O=c1nc(N2CCOCC2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one?
The InChIKey is XWNWCYAYAKFQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-13-14-12(17-6-8-19-9-7-17)11(15-16-13)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,16,18).
What are the key properties of 5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one?
5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one has a molecular weight of 258.28 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 11482308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).